COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.198  -0.413   0.331  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.903   0.717  -0.006  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.863   1.654  -0.135  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.210   1.301   0.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.111   2.205   0.556  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.439   1.853   0.698  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.872   0.602   0.297  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.976  -0.300  -0.247  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.648   0.047  -0.396  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.617   1.034  -0.245  1.00  0.00           O  
HETATM   11  N   UNL     1       0.206   0.147  -0.108  1.00  0.00           N  
HETATM   12  C   UNL     1       1.455   0.388  -0.322  1.00  0.00           C  
HETATM   13  O   UNL     1       1.875   1.623  -0.702  1.00  0.00           O  
HETATM   14  C   UNL     1       2.951   2.177   0.064  1.00  0.00           C  
HETATM   15  C   UNL     1       3.411   3.488  -0.576  1.00  0.00           C  
HETATM   16  O   UNL     1       2.359   4.451  -0.500  1.00  0.00           O  
HETATM   17  C   UNL     1       4.116   1.184   0.090  1.00  0.00           C  
HETATM   18  O   UNL     1       5.179   1.717   0.881  1.00  0.00           O  
HETATM   19  C   UNL     1       3.642  -0.140   0.697  1.00  0.00           C  
HETATM   20  O   UNL     1       4.724  -1.074   0.715  1.00  0.00           O  
HETATM   21  C   UNL     1       2.497  -0.696  -0.152  1.00  0.00           C  
HETATM   22  N   UNL     1       1.901  -1.853   0.522  1.00  0.00           N  
HETATM   23  C   UNL     1       1.241  -2.784  -0.196  1.00  0.00           C  
HETATM   24  O   UNL     1       1.141  -2.664  -1.398  1.00  0.00           O  
HETATM   25  C   UNL     1       0.628  -3.974   0.497  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.056  -4.869  -0.538  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.678  -6.077   0.165  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.621   2.573  -0.328  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.774   3.182   0.870  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.141   2.556   1.122  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.911   0.329   0.409  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.317  -1.276  -0.559  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.949  -0.658  -0.822  1.00  0.00           H  
HETATM   34  H   UNL     1       2.612   2.368   1.082  1.00  0.00           H  
HETATM   35  H   UNL     1       4.287   3.863  -0.046  1.00  0.00           H  
HETATM   36  H   UNL     1       4.470   1.011  -0.926  1.00  0.00           H  
HETATM   37  H   UNL     1       5.528   2.558   0.555  1.00  0.00           H  
HETATM   38  H   UNL     1       3.290   0.030   1.715  1.00  0.00           H  
HETATM   39  H   UNL     1       5.487  -0.781   1.231  1.00  0.00           H  
HETATM   40  H   UNL     1       2.880  -0.995  -1.128  1.00  0.00           H  
HETATM   41  H   UNL     1       1.982  -1.949   1.484  1.00  0.00           H  
HETATM   42  H   UNL     1       1.408  -4.539   1.007  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.108  -3.631   1.224  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.836  -4.304  -1.048  1.00  0.00           H  
HETATM   45  H   UNL     1       0.680  -5.212  -1.266  1.00  0.00           H  
HETATM   46  H   UNL     1       0.102  -6.642   0.675  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.414  -5.735   0.892  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.166  -6.715  -0.572  1.00  0.00           H  
HETATM   49  H   UNL     1       3.668   3.312  -1.621  1.00  0.00           H  
HETATM   50  H   UNL     1       2.581   5.308  -0.887  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   10    3                                       
CONECT    3    2   28    4                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4   29    6                                       
CONECT    6    5   30    7    7                                       
CONECT    7    6    6    8   31                                       
CONECT    8    7    9    9   32                                       
CONECT    9    8    8    4   33                                       
CONECT   10    2   11                                                 
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   21                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   17   34                                       
CONECT   15   14   16   35   49                                       
CONECT   16   15   50                                                 
CONECT   17   14   18   36   19                                       
CONECT   18   17   37                                                 
CONECT   19   17   20   38   21                                       
CONECT   20   19   39                                                 
CONECT   21   12   19   40   22                                       
CONECT   22   21   23   41                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   42   43   26                                       
CONECT   26   25   44   45   27                                       
CONECT   27   26   46   47   48                                       
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
